SCHEMBL15930445

SCHEMBL15930445

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc6ccccc6n5-c5ccccc5)c4)c3cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
PTGER4 P35408 1/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
RECQL P46063 1/20 0.39
GAA P10253 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15930410 0.96 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL15930446 0.95 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL17071003 0.94 PTGER4 (0.38) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL15930324 0.93 ESR1 (0.48) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL14769556 0.93 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL802020 0.92 ESR1 (0.45) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL21658129 0.92 MEN1 (0.49) GAAHTTMEN1KMT2AALDH1A1
SCHEMBL15930416 0.91 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL14849715 0.90 ESR1 (0.51) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL2603510 0.89 ESR1 (0.48) ESR1ESR2PTGER4HDAC1HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed